General Information of the Compound
| Compound ID |
CP0038086
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| Compound Name |
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-methoxybut-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
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| Structure |
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| Formula |
C22H21F2N3O3
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| Molecular Weight |
413.424
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| Canonical SMILES |
COCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C22H21F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h5,7-12,14,20H,4,13H2,1-2H3,(H2,25,26)/t22-/m1/s1
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| InChIKey |
TZGLGDNNNMVJMI-JOCHJYFZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound